NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | type | subsubtype |
15005 | 1xbl | cing | 1-original | 1 | chemical shift | format 3 |
SHIFTH ALA 2 4.07 1.49 SHIFTH LYS 3 4.18 1.17, 1.41 Hg 1.17, 1.27; Hd 1.36, 1.36; He 2.89, 2.89 SHIFTH GLN 4 8.44 4.24 1.89, 1.96 Hg 2.43,2.43; He2 6.79, 7.67 SHIFTH ASP 5 8.80 4.53 2.73, 3.11 SHIFTH TYR 6 7.22 4.30 1.89, 2.63 Hd 5.96, 5.96; He 6.59, 6.59 SHIFTH TYR 7 7.58 3.86 3.20,3.20 Hd 7.38, 7.38; He 6.91, 6.91 SHIFTH GLU 8 7.85 4.16 2.21, 2.29 Hg 2.33, 2.55 SHIFTH ILE 9 8.11 3.68 1.93 Hg1 1.10, 1.63; Hg2 0.85; Hd 0.84 SHIFTH LEU 10 6.93 4.34 1.59, 1.77 Hg 1.80; Hd 0.83, 0.99 SHIFTH GLY 11 7.99 3.93, 3.93 SHIFTH VAL 12 7.82 4.79 2.29 Hg 0.80, 1.00 SHIFTH SER 13 8.27 4.41 3.72, 3.94 SHIFTH LYS 14 8.17 2.54 1.44, 1.44 Hg 1.08, 1.21; Hd 1.51, 1.51; He 2.93, 2.98 SHIFTH THR 15 7.30 4.20 4.55 Hg2 1.04 SHIFTH ALA 16 7.53 4.18 1.52 SHIFTH GLU 17 8.94 4.54 2.10, 2.43 Hg 2.49, 2.49 SHIFTH GLU 18 9.17 3.82 2.06, 2.28 Hg 2.17, 2.28 SHIFTH ARG 19 8.94 4.08 1.86, 1.99 Hg 1.64, 1.75; Hd 3.26, 3.26 SHIFTH GLU 20 7.42 4.18 2.22, 2.37 Hg 2.36, 2.44 SHIFTH ILE 21 7.81 3.61 1.97 Hg1 0.89, 1.75; Hg2 0.81; Hd 0.80 SHIFTH ARG 22 8.57 4.23 1.88, 2.00 Hg 1.64, 1.74; Hd 3.24, 3.38 SHIFTH LYS 23 7.81 4.00 1.95, 1.95 Hg 1.46, 1.67; Hd 1.67, 1.74; He 3.01, 3.01 SHIFTH ALA 24 7.99 4.17 1.67 SHIFTH TYR 25 8.35 3.952.80, 2.80 Hd 6.20, 6.20; He 6.37, 6.37 SHIFTH LYS 26 8.06 3.47 1.86, 1.86 Hg 1.37, 1.56; He 2.94, 2.94 SHIFTH ARG 27 7.57 4.03 1.94, 1.94 Hg 1.56, 1.73; Hd 3.25, 3.25 SHIFTH LEU 28 7.99 4.10 1.57, 1.92 Hg 1.91; Hd 1.02, 1.08 SHIFTH ALA 29 9.13 3.87 0.95 SHIFTH MET 30 7.27 4.12 2.06, 2.11 Hg 2.54, 2.66; He 2.01 SHIFTH LYS 31 7.26 3.94 1.55, 1.60 Hg 0.60, 1.10; Hd 1.33, 1.47; He 2.79, 2.86 SHIFTH TYR 32 7.80 4.49 2.46, 3.44 Hd 7.09, 7.09; He 6.86, 6.86 SHIFTH HIS 33 7.44 3.94 2.70, 3.22 SHIFTH PRO 34 4.16 1.84, 2.15 Hg 1.66, 1.66; Hd 2.24, 2.75 SHIFTH ASP 35 10.02 4.49 2.67, 2.67 SHIFTH ARG 36 7.84 4.42 1.65, 1.96 Hg 1.55, 1.55; Hd 3.16, 3.16 SHIFTH ASN 37 7.76 4.88 2.46, 2.76 Hd2 6.98, 7.68 SHIFTH GLN 38 8.49 4.16 2.03, 2.11Hg 2.39, 2.39; He2 6.79, 7.50 SHIFTH GLY 39 8.77 3.83, 4.02 SHIFTH ASP 40 7.71 4.73 2.58, 2.96 SHIFTH LYS 41 8.80 4.14 1.90, 1.90Hg 1.54, 1.60; Hd 1.71, 1.71; He 3.03, 3.03 SHIFTH GLU 42 8.37 4.22 2.16, 2.16 Hg 2.28, 2.35 SHIFTH ALA 43 7.99 4.07 1.59 SHIFTH GLU 44 7.91 4.08 2.13, 2.13 Hg 2.21, 2.40 SHIFTH ALA 45 7.76 4.13 1.53 SHIFTH LYS 46 7.99 3.99 1.27, 1.54 Hg 1.18, 1.26; Hd 1.45, 1.45; He 2.82, 2.82 SHIFTH PHE 47 8.66 4.05 3.07, 3.21 Hz 7.07, 7.07 SHIFTH LYS 48 7.94 3.78 1.95, 1.95 Hg 1.45, 1.69; Hd 1.71, 1.71; He 2.98, 2.98 SHIFTH GLU 49 7.47 4.14 2.11, 2.21 Hg 2.32, 2.46 SHIFTH ILE 50 7.85 3.62 1.81 Hg1 1.14, 1.67; Hg2 0.94; Hd 0.79 SHIFTH LYS 51 8.11 3.80 1.42, 1.63 Hg 1.27, 1.27; Hd 1.53, 1.60; He 2.85 SHIFTH GLU 52 7.60 3.77 1.97, 2.08 Hg 1.90, 2.19 SHIFTH ALA 53 7.49 2.70 1.35 SHIFTH TYR 54 8.05 3.57 2.55, 2.55 Hd 6.33, 6.33; He 6.40, 6.40 SHIFTH GLU 55 8.17 3.25 1.76, 1.92 Hg 2.05, 2.39 SHIFTH VAL 56 7.23 3.29 1.08 Hg 0.41, 0.46 SHIFTH LEU 57 7.57 3.73 1.21, 1.46 Hg 1.42; Hd 0.12, 0.28 SHIFTH THR 58 7.14 4.05 4.05 Hg2 0.72 SHIFTH ASP 59 6.99 4.84 2.49, 2.94 SHIFTH SER 60 8.96 3.95 4.01, 4.01 SHIFTH GLN 61 8.12 4.28 2.18, 2.23 Hg 2.38, 2.52; He2 6.85, 7.60 SHIFTH LYS 62 8.47 4.23 1.89, 2.40 Hg 1.36, 1.62; Hd 1.52, 1.52; He 2.86, 2.86 SHIFTH ARG 63 9.42 3.72 1.76, 1.76 Hg 2.13, 2.13; Hd 3.16, 3.56 SHIFTH ALA 64 7.55 4.26 1.56 SHIFTH ALA 65 7.70 4.27 1.59 SHIFTH TYR 66 8.97 4.14 3.17, 3.17 Hd 6.98, 6.98; He 6.27, 6.27 SHIFTH ASP 67 9.28 4.36 2.61, 2.67 SHIFTH GLN 68 7.48 4.04 1.41, 1.75 Hg 1.56, 1.91; He2 6.64, 7.03 SHIFTH TYR 69 8.41 4.68 2.64, 3.11 Hd 7.16, 7.16; He 6.78, 6.78 SHIFTH GLY 70 8.43 3.22, 3.95 SHIFTH HIS 71 8.46 4.51 3.07, 3.27 SHIFTH ALA 72 8.14 4.20 1.45 SHIFTH ALA 73 7.66 3.85 0.93 SHIFTH PHE 74 7.57 4.74 2.99, 3.44 Hg 7.39, 7.39 SHIFTH GLU 75 7.62 4.33 1.95, 2.08 Hg 2.29, 2.35 SHIFTH GLN 76 8.46 4.27 1.98, 2.12 Hg 2.34, 2.34; He2 6.77, 7.47 SHIFTH GLY 77 8.42 3.92, 3.92 SHIFTH GLY 78 8.18 3.91, 3.91 SHIFTH MET 79 8.25 4.39 1.88, 2.01 Hg 2.40, 2.48; He 1.97 SHIFTH GLY 80 8.40 3.90, 3.90 SHIFTH GLY 83 8.19 3.87, 3.87 SHIFTH PHE 84 8.16 4.32 3.00, 3.14 Hd 7.19, 7.19 SHIFTH GLY 85 8.44 3.90, 3.90 SHIFTH GLY 87 8.26 3.91, 3.91 SHIFTH ALA 88 8.15 4.26 1.27 SHIFTH ASP 89 8.23 4.53 2.49, 2.58 SHIFTH PHE 90 8.18 4.52 2.97, 3.15 Hd 7.19, 7.19 SHIFTH SER 91 8.23 4.30 3.79, 3.84 SHIFTH ASP 92 8.23 4.56 2.63, 2.63 SHIFTH ILE 93 7.74 3.99 1.65 Hg1 0.96, 1.09; Hg2 0.58; Hd 0.67 SHIFTH PHE 94 8.06 4.61 2.93, 3.18 Hd 7.19, 7.19 SHIFTH GLY 95 8.07 3.91, 3.91 SHIFTH ASP 96 8.21 4.53 2.54, 2.64 SHIFTH VAL 97 7.92 3.98 1.93 Hg 0.67, 0.71 SHIFTH PHE 98 8.21 4.60 2.93, 3.17 Hd 7.19, 7.19 SHIFTH GLY 99 8.11 3.89, 3.89 SHIFTH ASP 100 8.19 4.59 2.66, 2.66 SHIFTH ILE 101 7.91 4.00 1.67 Hg1 0.96, 1.06; Hg2 0.60; Hd 0.69 SHIFTH PHE 102 8.19 4.60 2.93, 3.16 Hd 7.19, 7.19 SHIFTH GLY 103 8.16 3.92, 3.92 SHIFTH ARG 106 8.15 4.57 1.64, 1.79 SHIFTH GLY 107 8.43 3.90, 3.90 SHIFTNC ALA 2 51.9 19.2 SHIFTNC LYS 3 56.4 32.8 13Cg 24.7; 13Cd 28.9; 13Ce 41.8 SHIFTNC GLN 4 123.3 55.8 30.3 13Cg 34.4; 15Ne2 112.2 SHIFTNC ASP 5 123.6 53.7 43.1 SHIFTNC TYR 6 122.9 58.3 38.3 13Cd 130.6; 13Ce 118.8 SHIFTNC TYR 7 115.4 62.2 35.4 13Cg 134.0; 13Cz 118.6 SHIFTNC GLU 8 119.7 59.1 30.2 13Cg 36.6 SHIFTNC ILE 9 120.6 64.8 37.6 13Cg1 29.2; 13Cg2 18.2; 13Cd 14.0 SHIFTNC LEU 10 115.4 54.6 43.0 13Cg 26.9; 13Cd 23.7, 26.9 SHIFTNC GLY 11 108.9 46.5 SHIFTNC VAL 12 110.8 57.1 35.1 13Cg 18.8, 21.8 SHIFTNC SER 13 115.4 57.2 64.2 SHIFTNC LYS 14 121.5 57.7 32.1 13Cg 25.0; 13Cd 29.2; 13Ce 42.1 SHIFTNC THR 15 127.7 59.9 68.0 13Cg 21.4 SHIFTNC ALA 16 125.1 53.1 19.5 SHIFTNC GLU 17 120.8 55.4 31.2 13Cg 36.6 SHIFTNC GLU 18 124.0 60.9 29.5 13Cg 36.6 SHIFTNC ARG 19 116.5 59.7 29.7 13Cg 26.9; 13Cd 43.4 SHIFTNC GLU 20 119.8 58.7 30.0 13Cg 36.6 SHIFTNC ILE 21 122.9 66.1 37.9 13Cg1 30.2; 13Cg2 17.9; 13Cd 13.3 SHIFTNC ARG 22 118.6 60.5 29.2 13Cd 43.1 SHIFTNC LYS 23 119.7 59.9 32.5 13Cg 25.5; 13Cd 29.2; 13Ce 41.8 SHIFTNC ALA 24 122.9 55.1 18.5 SHIFTNC TYR 25 117.2 61.5 39.3 13Cg 132.5; 13Cz 117.4 SHIFTNC LYS 26 117.9 59.8 32.1 13Cg 25.3; 13Ce 42.1 SHIFTNC ARG 27 117.2 59.2 30.2 13Cg 27.6 SHIFTNC LEU 28 121.1 57.4 42.6 13Cg 27.3; 13Cd 23.1, 26.9 SHIFTNC ALA 29 122.9 55.1 17.2 SHIFTNC MET 30 113.7 57.7 32.3 13Cg 32.1; 13Ce 16.6 SHIFTNC LYS 31 118.8 58.5 32.8 13Cg 24.3; 13Cd 29.2; 13Ce 41.8 SHIFTNC TYR 32 115.1 58.5 38.8 13Cg 133.0; 13Cz 118.5 SHIFTNC HIS 33 120.5 56.3 30.7 SHIFTNC PRO 34 65.1 31.8 13Cg 26.9; 13Cd 50.2 SHIFTNC ASP 35 120.4 56.1 40.4 SHIFTNC ARG 36 117.6 55.9 30.8 13Cg 26.9; 13Cd 43.1 SHIFTNC ASN 37 119.4 52.9 40.4 15Nd2 115.7 SHIFTNC GLN 38 121.1 57.5 28.4 13Cg 34.0; 15Ne2 112.9 SHIFTNC GLY 39 111.2 45.5 SHIFTNC ASP 40 120.1 53.4 41.6 SHIFTNC LYS 41 126.5 58.7 32.1 13Cg 24.7; 13Cd 28.6; 13Ce 42.1 SHIFTNC GLU 42 121.5 58.9 29.0 13Cg 36.3 SHIFTNC ALA 43 123.6 55.2 17.9 SHIFTNC GLU 44 117.6 59.5 29.8 13Cg 36.3 SHIFTNC ALA 45 122.1 55.0 18.1 SHIFTNC LYS 46 119.4 58.4 31.4 13Cg 24.7; 13Cd 28.2; 13Ce 41.8 SHIFTNC PHE 47 120.1 61.3 38.7 SHIFTNC LYS 48 118.3 60.3 32.4 13Cg 25.5; 13Cd 29.5; 13Ce 41.8 SHIFTNC GLU 49 119.0 59.0 29.8 13Cg 36.3 SHIFTNC ILE 50 119.7 65.1 38.3 13Cg1 29.2; 13Cg2 17.9; 13Cd 15.6 SHIFTNC LYS 51 121.2 59.9 32.3 13Cg 24.7; 13Cd 29.5; 13Ce 41.8 SHIFTNC GLU 52 119.4 59.3 29.6 13Cg 36.0 SHIFTNC ALA 53 119.0 54.5 18.8 SHIFTNC TYR 54 117.2 60.9 39.2 13Cd 132.3; 13Ce 118.0 SHIFTNC GLU 55 120.4 59.0 29.0 13Cg 37.0 SHIFTNC VAL 56 117.2 66.0 31.4 13Cg 20.9, 22.4 SHIFTNC LEU 57 111.1 56.5 41.9 13Cg 25.6; 13Cd 25.0, 22.1 SHIFTNC THR 58 126.8 61.5 68.7 13Cg 22.1 SHIFTNC ASP 59 124.0 52.7 43.3 SHIFTNC SER 60 121.5 62.5 62.5 SHIFTNC GLN 61 121.1 59.0 28.8 13Cg 34.6; 15Ne2 112.9 SHIFTNC LYS 62 123.3 60.2 33.1 13Cg 26.9; 13Cd 30.2; 13Ce 42.5 SHIFTNC ARG 63 122.2 60.7 29.5 13Cd 43.8 SHIFTNC ALA 64 119.0 55.0 17.9 SHIFTNC ALA 65 121.3 55.1 18.2 SHIFTNC TYR 66 121.5 61.5 38.5 13Cd 132.7; 13Ce 118.7 SHIFTNC ASP 67 121.5 57.0 39.8 SHIFTNC GLN 68 117.6 57.9 29.5 13Cg 33.1; 15Ne2 111.1 SHIFTNC TYR 69 115.6 58.0 40.3 13Cd 133.3; 13Ce 118.0 SHIFTNC GLY 70 111.5 45.3 SHIFTNC HIS 71 120.1 59.7 30.3 SHIFTNC ALA 72 121.5 54.0 18.2 SHIFTNC ALA 73 119.0 53.6 18.5 SHIFTNC PHE 74 115.2 56.7 39.4 13Cd 132.3 SHIFTNC GLU 75 120.8 56.6 30.6 13Cg 36.4 SHIFTNC GLN 76 120.8 56.4 29.0 13Cg 33.8; 15Ne2 112.9 SHIFTNC GLY 77 110.1 45.5 SHIFTNC GLY 78 108.7 45.4 SHIFTNC MET 79 119.7 55.7 32.6 13Cg 32.1; 13Ce 16.9 SHIFTNC GLY 80 109.7 45.4 SHIFTNC GLY 83 108.7 45.3 SHIFTNC PHE 84 120.1 56.2 39.1 SHIFTNC GLY 85 110.5 45.3 SHIFTNC GLY 87 108.7 45.2 SHIFTNC ALA 88 124.0 52.4 19.4 SHIFTNC ASP 89 119.4 54.1 41.2 SHIFTNC PHE 90 121.2 58.0 39.1 SHIFTNC SER 91 116.8 59.2 63.7 SHIFTNC ASP 92 122.2 54.6 41.0 SHIFTNC ILE 93 119.1 61.9 38.5 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0 SHIFTNC PHE 94 121.1 57.9 39.4 SHIFTNC GLY 95 109.4 45.5 SHIFTNC ASP 96 120.8 54.141.1 SHIFTNC VAL 97 119.4 62.8 32.4 13Cg 20.3, 21.0 SHIFTNC PHE 98 121.9 58.0 39.2 SHIFTNC GLY 99 109.4 45.5 SHIFTNC ASP 100 120.8 54.2 41.2 SHIFTNC ILE 101 120.0 62.0 38.3 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0 SHIFTNC PHE 102 121.5 57.9 39.2 SHIFTNC GLY 103 110.4 45.6 SHIFTNC ARG 106 120.1 SHIFTNC GLY 107 111.2 45.2 SHIFTNC ARG 108 125.4 57.3 31.4 13Cg 25.5; 15Ne 85.8
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